2-(4-methylphenyl)sulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)ethanamide

Systemtic Name: 2-(4-methylphenyl)sulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)ethanamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)-2-(p-tolylsulfanyl)acetamide CAS Name: 2-[(4-methylphenyl)thio]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-[2-(4-morpholinyl)ethyl]acetamide IUPAC Name: 2-(4-methylphenyl)sulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)-2-(p-tolylthio)acetamide Formula: C23H27N3O4S3 MolecularWeight: 505.67318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)N(CCN2CCOCC2)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)N(CCN2CCOCC2)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C23H27N3O4S3/c1-17-3-5-18(6-4-17)31-16-22(27)26(10-9-25-11-13-30-14-12-25)23-24-20-8-7-19(33(2,28)29)15-21(20)32-23/h3-8,15H,9-14,16H2,1-2H3